3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one

C13H13NO2 — CID 42625072

IUPAC3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#CCCc1ccccc1
InChIInChI=1S/C13H13NO2/c15-13-14(10-11-16-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4,8,10-11H2
InChIKeyZTXOEKHBWWGMOW-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.03
Rot. Bonds2

About 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one

3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one (PubChem CID 42625072) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one
PubChem CID42625072
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#CCCc1ccccc1
InChIInChI=1S/C13H13NO2/c15-13-14(10-11-16-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4,8,10-11H2
InChIKeyZTXOEKHBWWGMOW-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-Fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 56946461
3-Cinnamoyloxazolidin-2-one
CID 677095
3-Benzyl-1,3-oxazolidin-2-one
CID 10487528
3-(3-Phenylprop-2-yn-1-yl)-1,3-oxazolidine
CID 129872259
5-Methyl-3-(3-phenylprop-2-yn-1-yl)-1,3-oxazolidine
CID 129872405
5-Methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 164676290
3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 122391411
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132969632
3-[2-[3-(Trifluoromethyl)phenyl]ethynyl]-1,3-oxazolidin-2-one
CID 176422672
Qrdztuokogfhmc-uhfffaoysa-
CID 21594478
2-Oxazolidinone, 3-(1-oxo-3-phenyl-2-propenyl)-
CID 677094

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one (CID 42625072) is 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one is O=C1OCCN1C#CCCc1ccccc1.
What is the InChIKey of 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one?
The InChIKey is ZTXOEKHBWWGMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13-14(10-11-16-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4,8,10-11H2.
What are the key properties of 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one?
3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbut-1-ynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 42625072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).